Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 6/20 | 0.31 |
| ▸ | PPARG | P37231 | 6/20 | 0.31 |
| ▸ | RARA | P10276 | 2/20 | 0.30 |
| ▸ | RARB | P10826 | 2/20 | 0.30 |
| ▸ | RXRB | P28702 | 2/20 | 0.30 |
| ▸ | RXRG | P48443 | 2/20 | 0.30 |
| ▸ | RARG | P13631 | 2/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1626990 | 0.85 | SMN1; SMN2 (0.41) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4246692 | 0.82 | RXRA (0.32) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL3678171 | 0.81 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL8905547 | 0.79 | CA2 (0.39) | TSHRGABRA1GABRB2 | |
| SCHEMBL1304653 | 0.79 | GABRA1 (0.33) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL26876686 | 0.73 | RARG (0.33) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL3682919 | 0.73 | GABRA1 (0.32) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL26875010 | 0.73 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL3682917 | 0.72 | CYP3A4 (0.38) | CYP3A4RXRAPPARGRARARARB | |
| SCHEMBL4247017 | 0.71 | GABRA1 (0.37) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8552120-B2 | Grafted and functionalized high 1,4-trans polybutadiene with aromatic organosulfur compound | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2013-10-08 | — | — | US | disclosed |
| US-20100081770-A1 | GRAFTED AND FUNCTIONALIZED HIGH 1,4-TRANS POLYBUTADIENE WITH AROMATIC ORGANOSULFUR COMPOUND | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2010-04-01 | — | — | US | disclosed |